CID 43138076

4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide

Structural Information

Molecular Formula
C11H9ClN2OS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CCl)C(=O)N
InChI
InChI=1S/C11H9ClN2OS/c12-5-9-6-16-11(14-9)8-3-1-7(2-4-8)10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKey
LUEUJGNAZUAVDV-UHFFFAOYSA-N
Compound name
4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01968 153.1
[M+Na]+ 275.00162 163.1
[M-H]- 251.00512 159.0
[M+NH4]+ 270.04622 171.8
[M+K]+ 290.97556 157.4
[M+H-H2O]+ 235.00966 146.9
[M+HCOO]- 297.01060 168.1
[M+CH3COO]- 311.02625 191.5
[M+Na-2H]- 272.98707 153.5
[M]+ 252.01185 156.0
[M]- 252.01295 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.